In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019CWW |
---|---|
Common Name | PS(20:2(5Z,8Z)/13:0) |
Systematic Name | 1-(5Z,8Z-eicosadienoyl)-2-tridecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(33:2); PS(13:0_20:2) |
Exact Mass | |
Formula | C39H72NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | CVBURPVQHXEHGJ-TVOPHUDASA-N |
InChI | InChI=1S/C39H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-37(41) 47-32-35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-22-14-12-10-8- 6-4-2/h19-20,23-24,35-36H,3-18,21-22,25-34,40H2,1-2H3,(H,43,44)(H,45,46)/b20-19- ,24-23-/t35-,36+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\CCCCCC CCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |